QET-PES-MatPES-r2SCAN-2025.2

Introduction

Pre-trained QET foundation potential, i.e., universal machine learning interatomic potential trained on the MatPES-r2SCAN-2025.2 dataset.

Potential

matgl Potential model (version 3).

Usage

import matgl

model = matgl.load_model("materialyze/QET-PES-MatPES-r2SCAN-2025.2")

Model Details

• Number of parameters: 905,492

Metrics

Split	Energy MAE (eV/atom)	Force MAE (eV/A)	Stress MAE (GPa)	Charge MAE (e)
Train	0.038155	0.140082	0.557312	0.035833
Validation	0.039053	0.163324	0.687983	0.036648
Test	0.040936	0.156839	0.696752	0.036108

Metadata

{
  "dataset": "MatPES-r2SCAN-2025.2",
}